3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide

C28H32ClN5O2 — CID 118631499

About 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide

3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 118631499) has the molecular formula C28H32ClN5O2 and a molecular weight of 506.05 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide
• PubChem CID: 118631499
• Molecular Formula: C28H32ClN5O2
• Molecular Weight: 506.05 g/mol
• Exact Mass: 505.22
• IUPAC Name: 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide
• SMILES: CCCCCn1c(-c2cccc(C(=O)NCCN(C)C)c2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12
• InChI: InChI=1S/C28H32ClN5O2/c1-4-5-6-15-33-25(21-8-7-9-22(17-21)27(36)30-14-16-32(2)3)18-26(35)34-19-24(31-28(33)34)20-10-12-23(29)13-11-20/h7-13,17-19H,4-6,14-16H2,1-3H3,(H,30,36)
• InChIKey: QBKOIHJKXFEQOH-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 71.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.05
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?

The IUPAC name of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 118631499) is 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide.

What is the SMILES notation for 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?

The canonical SMILES for 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide is CCCCCn1c(-c2cccc(C(=O)NCCN(C)C)c2)cc(=O)n2cc(-c3ccc(Cl)cc3)nc12.

What is the InChIKey of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?

The InChIKey is QBKOIHJKXFEQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O2/c1-4-5-6-15-33-25(21-8-7-9-22(17-21)27(36)30-14-16-32(2)3)18-26(35)34-19-24(31-28(33)34)20-10-12-23(29)13-11-20/h7-13,17-19H,4-6,14-16H2,1-3H3,(H,30,36).

What are the key properties of 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide?

3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 506.05 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-chlorophenyl)-5-oxo-8-pentylimidazo[1,2-a]pyrimidin-7-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 118631499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).